Information card for entry 7027157

Structure parameters

• Common name: (-2,5-Bis(1-phenyliminoethyl)pyrazine)-di-(bis-triphenylphosphinocopper(I)) tetrafluoroborate
• Chemical name: (-2,5-Bis(1-phenyliminoethyl)pyrazine)-di-(bis-triphenylphosphinocopper(I)) tetrafluoroborate
• Formula: C92 H78 B2 Cu2 F8 N4 P4
• Calculated formula: C92 H78 B2 Cu2 F8 N4 P4
• SMILES: [B](F)(F)(F)[F-].c1ccccc1[N]1=C(c2[n]([Cu]1([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)cc1C(=[N](c3ccccc3)[Cu]([n]1c2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)C)C.[B](F)(F)(F)[F-]
• Title of publication: 2,5-Bis(1-phenyliminoethyl)pyrazine (bpip): a conjugated metal–metal bridging acceptor ligand and its homodinuclear complexes with low-valent metal centres
• Authors of publication: Klein, Axel; Kasack, Volker; Reinhardt, Ralf; Sixt, Torsten; Scheiring, Thomas; Zalis, Stanislav; Fiedler, Jan; Kaim, Wolfgang
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 4
• Pages of publication: 575
• a: 13.844 ± 0.003 Å
• b: 11.111 ± 0.003 Å
• c: 26.604 ± 0.006 Å
• α: 90°
• β: 105.03 ± 0.02°
• γ: 90°
• Cell volume: 3952.3 ± 1.7 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections: 0.1844
• Weighted residual factors for significantly intense reflections: 0.1516
• Goodness-of-fit parameter for all reflections: 1.126
• Goodness-of-fit parameter for significantly intense reflections: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No